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MSIpixel: a fully automated pipeline for compound annotation and quantitation in mass spectrometry imaging experiments.
- Source :
-
Briefings in bioinformatics [Brief Bioinform] 2023 Nov 22; Vol. 25 (1). - Publication Year :
- 2023
-
Abstract
- Mass spectrometry imaging (MSI) is commonly used to map the spatial distribution of small molecules within complex biological matrices. One of the major challenges in imaging MS-based spatial metabolomics is molecular identification and metabolite annotation, to address this limitation, annotation is often complemented with parallel bulk LC-MS2-based metabolomics to confirm and validate identifications. Here we applied MSI method, utilizing data-dependent acquisition, to visualize and identify unknown molecules in a single instrument run. To reach this aim we developed MSIpixel, a fully automated pipeline for compound annotation and quantitation in MSI experiments. It overcomes challenges in molecular identification, and improving reliability and comprehensiveness in MSI-based spatial metabolomics.<br /> (© The Author(s) 2023. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.)
- Subjects :
- Reproducibility of Results
Mass Spectrometry
Metabolomics methods
Subjects
Details
- Language :
- English
- ISSN :
- 1477-4054
- Volume :
- 25
- Issue :
- 1
- Database :
- MEDLINE
- Journal :
- Briefings in bioinformatics
- Publication Type :
- Academic Journal
- Accession number :
- 38102070
- Full Text :
- https://doi.org/10.1093/bib/bbad463